(2,5-dimethylphenyl) 3-(2-oxidanylidene-1,3-benzothiazol-3-yl)propanoate

Systemtic Name: (2,5-dimethylphenyl) 3-(2-oxidanylidene-1,3-benzothiazol-3-yl)propanoate Openeye Name: (2,5-dimethylphenyl) 3-(2-oxo-1,3-benzothiazol-3-yl)propanoate CAS Name: 3-(2-oxo-1,3-benzothiazol-3-yl)propanoic acid (2,5-dimethylphenyl) ester IUPAC Name: (2,5-dimethylphenyl) 3-(2-oxo-1,3-benzothiazol-3-yl)propanoate Traditional Name: 3-(2-keto-1,3-benzothiazol-3-yl)propionic acid (2,5-dimethylphenyl) ester Formula: C18H17NO3S MolecularWeight: 327.39748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OC(=O)CCN2C3=CC=CC=C3SC2=O

Isomeric SMILES

CC1=CC(=C(C=C1)C)OC(=O)CCN2C3=CC=CC=C3SC2=O

InChI

InChI=1S/C18H17NO3S/c1-12-7-8-13(2)15(11-12)22-17(20)9-10-19-14-5-3-4-6-16(14)23-18(19)21/h3-8,11H,9-10H2,1-2H3